2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide

C11H13F2NO2 — CID 97057512

IUPAC2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO2/c1-11(2,9(14)15)7-3-5-8(6-4-7)16-10(12)13/h3-6,10H,1-2H3,(H2,14,15)
InChIKeyQKUVMIZPWAZICX-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide

2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide (PubChem CID 97057512) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
PubChem CID97057512
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO2/c1-11(2,9(14)15)7-3-5-8(6-4-7)16-10(12)13/h3-6,10H,1-2H3,(H2,14,15)
InChIKeyQKUVMIZPWAZICX-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 62214131
3-[4-(difluoromethoxy)phenyl]-3-(dimethylamino)butanoic acid
CID 64527374
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide (CID 97057512) is 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide?
The InChIKey is QKUVMIZPWAZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(2,9(14)15)7-3-5-8(6-4-7)16-10(12)13/h3-6,10H,1-2H3,(H2,14,15).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide?
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide has a molecular weight of 229.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 97057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).